UCSF

ZINC19900997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 0.67 -42.35 4 4 1 60 267.393 7
Hi High (pH 8-9.5) 2.31 1.46 -33.28 3 4 0 63 266.385 7
Mid Mid (pH 6-8) 2.31 1.25 -37.41 4 4 1 57 267.393 7
Lo Low (pH 4.5-6) 2.31 2.71 -113.85 5 4 2 61 268.401 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )